Reaction Details |
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Target | Neuraminidase |
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Ligand | BDBM5025 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1295476 (CHEMBL3131474) |
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IC50 | 0.300000±n/a nM |
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Citation | Grienke, U; Braun, H; Seidel, N; Kirchmair, J; Richter, M; Krumbholz, A; von Grafenstein, S; Liedl, KR; Schmidtke, M; Rollinger, JM Computer-guided approach to access the anti-influenza activity of licorice constituents. J Nat Prod77:563-70 (2014) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Neuraminidase |
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Name: | Neuraminidase |
Synonyms: | NA | NRAM_I33A0 |
Type: | PROTEIN |
Mol. Mass.: | 49687.56 |
Organism: | Influenza A virus |
Description: | ChEMBL_1347422 |
Residue: | 453 |
Sequence: | MNPNQKIITIGSICMVVGIISLILQIGNIISIWISHSIQTGNQNHTGICNQGIITYNVVA
GQDSTSVILTGNSSLCPIRGWAIHSKDNGIRIGSKGDVFVIREPFISCSHLECRTFFLTQ
GALLNDKHSNGTVKDRSPYRALMSCPVGEAPSPYNSRFESVAWSASACHDGMGWLTIGIS
GPDNGAVAVLKYNGIITETIKSWRKKILRTQESECTCVNGSCFTIMTDGPSNGLASYKIF
KIEKGKVTKSIELNAPNSHYEECSCYPDTGKVMCVCRDNWHGSNRPWVSFDQNLDYQIGY
ICSGVFGDNPRPKDGPGSCGPVSADGANGVKGFSYRYGNGVWIGRTKSDSSRHGFEMIWD
PNGWTETDSRFSVRQDVVAMTDRSGYSGSFVQHPELTGLDCMRPCFWVELIRGRPEEETI
WTSGSIISFCGVNSDTVDWSWPDGAELPFTIDK
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BDBM5025 |
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n/a |
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Name | BDBM5025 |
Synonyms: | Oseltamivir | US10919856, POSITIVE CONTROL | ethyl (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate |
Type | Small organic molecule |
Emp. Form. | C16H28N2O4 |
Mol. Mass. | 312.4045 |
SMILES | [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8| |
Structure |
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